Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.46 |
| ▸ | WNT3A | P56704 | 3/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.45 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.45 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.45 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.45 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4403840 | 0.98 | F2 (0.62) | F2CYP1A2CYP3A4MAPTCYP2C19 | |
| SCHEMBL2416081 | 0.86 | CYP1A2 (0.65) | F2CYP1A2CYP3A4MAPTCYP2C19 | |
| SCHEMBL403839 | 0.86 | CYP1A2 (0.65) | F2CYP1A2CYP3A4MAPTCYP2C19 | |
| SCHEMBL27522161 | 0.78 | F2 (0.68) | F2CYP1A2CYP3A4MAPTCYP2C19 | |
| SCHEMBL563181 | 0.78 | F2 (1.00) | F2CYP1A2CYP3A4MAPTCYP2C19 | |
| SCHEMBL170646 | 0.78 | F2 (0.68) | F2CYP1A2CYP3A4MAPTCYP2C19 | |
| SCHEMBL29858415 | 0.78 | F2 (0.68) | F2CYP1A2CYP3A4MAPTCYP2C19 | |
| SCHEMBL3708430 | 0.78 | F2 (0.68) | F2CYP1A2CYP3A4MAPTCYP2C19 | |
| SCHEMBL29540009 | 0.78 | F2 (0.68) | F2CYP1A2CYP3A4MAPTCYP2C19 | |
| SCHEMBL28604703 | 0.77 | MAPT (0.54) | F2CYP1A2CYP3A4MAPTCYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101321525-B | Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors | HOFFMANN LA ROCHE | 2013-01-30 | — | — | CN | disclosed |
| EP-1959951-B1 | HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-12-23 | — | — | EP | disclosed |